4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol

C12H19NO2S — CID 81130842

IUPAC4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol
SMILESCC(NCC1(O)CCOCC1)c1ccsc1
InChIInChI=1S/C12H19NO2S/c1-10(11-2-7-16-8-11)13-9-12(14)3-5-15-6-4-12/h2,7-8,10,13-14H,3-6,9H2,1H3
InChIKeyPCRXGUKVOLWVEW-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.94
Rot. Bonds4

About 4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol

4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol (PubChem CID 81130842) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol
PubChem CID81130842
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol
SMILESCC(NCC1(O)CCOCC1)c1ccsc1
InChIInChI=1S/C12H19NO2S/c1-10(11-2-7-16-8-11)13-9-12(14)3-5-15-6-4-12/h2,7-8,10,13-14H,3-6,9H2,1H3
InChIKeyPCRXGUKVOLWVEW-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169
4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 65116695
N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 115893048
(1S)-N-[(4-methoxyoxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 97107019
N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide
CID 111486054
4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81130776
4-[1-[(4-hydroxyoxan-4-yl)methylamino]ethyl]benzonitrile
CID 81131112
4-[[1-(3-bromophenyl)ethylamino]methyl]oxan-4-ol
CID 79140113
4-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]oxan-4-ol
CID 81130592
(1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine
CID 97230647
3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
CID 103904766

Frequently Asked Questions

What is the IUPAC name of 4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol (CID 81130842) is 4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol is CC(NCC1(O)CCOCC1)c1ccsc1.
What is the InChIKey of 4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol?
The InChIKey is PCRXGUKVOLWVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10(11-2-7-16-8-11)13-9-12(14)3-5-15-6-4-12/h2,7-8,10,13-14H,3-6,9H2,1H3.
What are the key properties of 4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol?
4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol has a molecular weight of 241.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol is sourced from PubChem (CID 81130842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).